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232564

Ethyl 2,4-dioxovalerate

Name: Ethyl 2,4-dioxovalerate
Brand: ALDRICH

97%

Synonym(s):

Ethyl acetonoxalate

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About This Item

Linear Formula:

CH₃COCH₂COCOOC₂H₅

CAS Number:

615-79-2

Molecular Weight:

158.15

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24853912

EC Number:

210-447-5

Beilstein/REAXYS Number:

607062

MDL number:

MFCD00009124

Assay:

97%

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Properties

Quality Segment

200

assay

97%

refractive index

n20/D 1.474 (lit.)

bp

101-103 °C/12 mmHg (lit.)

mp

16-18 °C (lit.)

density

1.126 g/mL at 25 °C (lit.)

functional group

ester, ketone

storage temp.

2-8°C

SMILES string

CCOC(=O)C(=O)CC(C)=O

InChI

1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3

InChI key

OYQVQWIASIXXRT-UHFFFAOYSA-N

Description

General description

Assymmmetric hydrogenation of ethyl 2,4-dioxovalerate in the presence of chiral rhodium or ruthenium catalysts yields 2-hydroxy-4-methyltetrahydrofuran-2-one. Ethyl 2,4-dioxovalerate is a potential anti-fungal agent.

Application

Ethyl 2,4-dioxovalerate was used in the preparation of:

1H-pyrazolo-[3,4-d]-pyridazin-7(6H)-one core analog
pyrazole

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves

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